4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one

C9H17N3O2 — CID 123430362

IUPAC4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one
SMILESCC1CNC(CNC2CONC2=O)C1
InChIInChI=1S/C9H17N3O2/c1-6-2-7(10-3-6)4-11-8-5-14-12-9(8)13/h6-8,10-11H,2-5H2,1H3,(H,12,13)
InChIKeyHZUVKQNZBLLSFH-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.00
Rot. Bonds3

About 4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one

4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one (PubChem CID 123430362) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one
PubChem CID123430362
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one
SMILESCC1CNC(CNC2CONC2=O)C1
InChIInChI=1S/C9H17N3O2/c1-6-2-7(10-3-6)4-11-8-5-14-12-9(8)13/h6-8,10-11H,2-5H2,1H3,(H,12,13)
InChIKeyHZUVKQNZBLLSFH-UHFFFAOYSA-N
XLogP-1.00
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-oxo-1,2-oxazolidin-4-yl)pyrrolidine-2-carboxamide
CID 123844142
(2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide
CID 79523299
(2S)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide
CID 79523392
2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide
CID 79523476
2-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pyrrolidine-2-carboxamide
CID 79523482
2-(cyclopentylamino)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]acetamide
CID 79523562
2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide
CID 79523566
(2S)-2-amino-4-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide
CID 79523651
(2R)-2-amino-3-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide
CID 79523744
4-amino-4-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide
CID 79523753
2-methyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pyrrolidine-3-carboxamide
CID 79523846
2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]pentanamide
CID 79523928

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one?
The IUPAC name of 4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one (CID 123430362) is 4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one?
The canonical SMILES for 4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one is CC1CNC(CNC2CONC2=O)C1.
What is the InChIKey of 4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one?
The InChIKey is HZUVKQNZBLLSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6-2-7(10-3-6)4-11-8-5-14-12-9(8)13/h6-8,10-11H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one?
4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one has a molecular weight of 199.25 g/mol, XLogP of -1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpyrrolidin-2-yl)methylamino]-1,2-oxazolidin-3-one is sourced from PubChem (CID 123430362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).